Molecule

ID:98071

General Information
Structure
MolImage
Molecular Formula
C₆H₂ClF₃O₂S
Molecular Mass
230.5920896
Exact Mass
229.94161264
Charge
0
InChI
InChI=1S/C6H2ClF3O2S/c7-13(11,12)5-2-3(8)1-4(9)6(5)10/h1-2H
InChIKey
UOBDGEAGDFWWOQ-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(F)c(c(c1)S(=O)(=O)Cl)F
Isomeric Smiles
S(=O)(=O)(c1c(c(cc(c1)F)F)F)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3476546
LogD (pH = 7.4)
2.3476546
Log P
2.3476546
Molar Refractivity
40.9014
Polarizability
16.009727
Polar Surface Area
34.14
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation